Geometry & MOs

Info

ID:	419972
PubChem CID:	135110444
Reduced:	ClOSN4C14H19 (1)
Stoich.:	ABCD4E14F19 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	0.23
Dipole, Da:	5.46
IP(EA), eV:	-8.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(propan-2-ylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)C(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations