Geometry & MOs

Info

ID:	172314
PubChem CID:	75496963
Reduced:	NO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	313.204179
ΔH_f, kcal/mol:	-123.25
Dipole, Da:	2.13
IP(EA), eV:	-8.49(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)N(CC1=CC=CC=C1)CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations