Geometry & MOs

Info

ID:	244316
PubChem CID:	99343948
Reduced:	O4N5H21C26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-18.34
Dipole, Da:	1.48
IP(EA), eV:	-8.57(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]carbamoyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CN(N=C4)CC5=CC=NC=C5

DOS

IR

Vibrations