Geometry & MOs

Info

ID:	442985
PubChem CID:	135257275
Reduced:	N2H18C25 (3)
Stoich.:	A2B18C25 (3)
Weight, g/mol:	152.058578
ΔH_f, kcal/mol:	313.85
Dipole, Da:	2.34
IP(EA), eV:	-7.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2,3-dihydro-1,3-benzoxazol-6-ol

Drug info:

Smile

CC1(C2=C(C=CC(=C2)N3C4=C(C=C(C=C4)C5=CC(=CC=C5)N(C6=CC=CC=C6)C7=CC8=C(C=C7)C9=C(N8)C=C(C=C9)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C23)NC2=C1C=C(C=C2)N1C2=CC=CC=C2C2=CC=CC=C21)C

DOS

IR

Vibrations