Geometry & MOs

Info

ID:	358986
PubChem CID:	127296877
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-171.63
Dipole, Da:	6.12
IP(EA), eV:	-8.71(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCC3CCOC4=CC=CC=C34

DOS

IR

Vibrations