Geometry & MOs

Info

ID:	422613
PubChem CID:	135118140
Reduced:	N6O7C30H40 (1)
Stoich.:	A6B7C30D40 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-275.44
Dipole, Da:	2.27
IP(EA), eV:	-9.46(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=COC=C2)C)CC3=CC=CC=C3

DOS

IR

Vibrations