Geometry & MOs

Info

ID:	421188
PubChem CID:	135115527
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	17.06
Dipole, Da:	2.54
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxy-3-methylbutyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC2CCN(CC2)CC3=CC(=O)N4C(=N3)N=CN4

DOS

IR

Vibrations