Geometry & MOs

Info

ID:	185531
PubChem CID:	77310511
Reduced:	ON2C11H14 (3)
Stoich.:	AB2C11D14 (3)
Weight, g/mol:	388.201159
ΔH_f, kcal/mol:	-57.31
Dipole, Da:	7.8
IP(EA), eV:	-8.02(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(9-benzyl-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-6-yl)amino]-1-phenylethanol

Drug info:

PubChemData

Smile

CC1=C(N(C2=CC=CC=C12)CCCOC)C3CCCN(C3)C(=O)CC(CC4=CC=C(C=C4)NC(=O)C5=NN(C=C5)C)N

DOS

IR

Vibrations