Geometry & MOs

Info

ID:	363361
PubChem CID:	127310898
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-77.49
Dipole, Da:	5.57
IP(EA), eV:	-9.32(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-methyl-N-(oxan-3-ylmethyl)pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)C2=NC(=NC=C2)C3CC3

DOS

IR

Vibrations