Geometry & MOs

Info

ID:	306363
PubChem CID:	125003923
Reduced:	N2O2C9H14 (2)
Stoich.:	A2B2C9D14 (2)
Weight, g/mol:	420.152158
ΔH_f, kcal/mol:	-157.0
Dipole, Da:	5.21
IP(EA), eV:	-9.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)C[C@]1(CCCN(CC1)C(=O)CCNC(=O)C2=CC(=CN=C2)O)O

DOS

IR

Vibrations