Geometry & MOs

Info

ID:	436809
PubChem CID:	135211762
Reduced:	ClO2N6C37H45 (1)
Stoich.:	AB2C6D37E45 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-23.14
Dipole, Da:	8.48
IP(EA), eV:	-8.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-(2-methyl-2,3-dihydro-1,3-benzoxazol-6-yl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4NCCN5C=CC=N5)C)CC(=O)O)N6CCC(CC6)(C)C

DOS

IR

Vibrations